Cas no 27228-43-9 (4-Pyrimidinamine,5-ethyl-)
4-Pyrimidinamine,5-ethyl- structure
Product Name:4-Pyrimidinamine,5-ethyl-
CAS No:27228-43-9
MF:C6H9N3
MW:123.155760526657
CID:250885
Update Time:2024-01-26
4-Pyrimidinamine,5-ethyl- Chemical and Physical Properties
Names and Identifiers
-
- 4-Pyrimidinamine,5-ethyl-
- 4-Amino-5-ethylpyrimidine
- Pyrimidine,4-amino-5-ethyl- (8CI)
- 4-Pyrimidinamine, 5-ethyl- (9CI)
- 4-Pyrimidinamine, 5-ethyl-
-
- Inchi： 1S/C6H9N3/c1-2-5-3-8-4-9-6(5)7/h3-4H,2H2,1H3,(H2,7,8,9)
- InChI Key： SEXUYRLSNKDINT-UHFFFAOYSA-N
- SMILES： C1=NC=C(CC)C(N)=N1
Computed Properties
- Exact Mass: 123.07977
- Monoisotopic Mass: 123.08
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 9
- Rotatable Bond Count: 1
- Complexity: 84.4
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 51.8A^2
Experimental Properties
- Density: 1.109±0.06 g/cm3(Predicted)
- Boiling Point: 255.0±20.0 °C(Predicted)
- PSA: 51.8
- pka: 5.94±0.10(Predicted)
4-Pyrimidinamine,5-ethyl- Related Literature
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Max Attwood,Hiroki Akutsu,Lee Martin,Toby J. Blundell,Pierre Le Maguere,Scott S. Turner Dalton Trans., 2021,50, 11843-11851
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Xingqun Zheng,Lele Song,Xin Feng,Li Li,Zidong Wei J. Mater. Chem. A, 2020,8, 14145-14151
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Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
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Xu Jie,Deng Xu,Weili Wei RSC Adv., 2019,9, 29149-29153
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